General Information of the Compound
| Compound ID |
CP0731675
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| Compound Name |
N-(5-(3-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(2-chloro-6-fluoro-N[2H]-methylbenzamido)phenyl)-1-isopropyl-1H-pyrazol-3-yl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
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| Structure |
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| Formula |
C31H34ClFN6O3
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| Molecular Weight |
596.1213053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(=O)N3CC4(COC4)C3)nn2C(C)C)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41)/i3D3
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| InChIKey |
SOCBDJZUDZXFGT-HPRDVNIFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound